3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C14H25N3O — CID 43792359

IUPAC3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)n1cc(CNC2CCCC(O)C2)cn1
InChIInChI=1S/C14H25N3O/c1-14(2,3)17-10-11(9-16-17)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3
InChIKeyRBEANCZWTVALDY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds3

About 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol

3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 43792359) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID43792359
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)n1cc(CNC2CCCC(O)C2)cn1
InChIInChI=1S/C14H25N3O/c1-14(2,3)17-10-11(9-16-17)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3
InChIKeyRBEANCZWTVALDY-UHFFFAOYSA-N
XLogP2.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783460
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 43751195
1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932481
1-tert-butyl-N-cyclohexylpyrazol-4-amine
CID 115777696
cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
CID 130735711

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 43792359) is 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol is CC(C)(C)n1cc(CNC2CCCC(O)C2)cn1.
What is the InChIKey of 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is RBEANCZWTVALDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)17-10-11(9-16-17)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3.
What are the key properties of 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43792359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).